Geometry & MOs

Info

ID:	152761
PubChem CID:	56311826
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	4.66
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations